[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol

C9H16O — CID 130624155

IUPAC[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
SMILESOCC1CC[C@@H]2C[C@@H]2CC1
InChIInChI=1S/C9H16O/c10-6-7-1-3-8-5-9(8)4-2-7/h7-10H,1-6H2/t7?,8-,9+
InChIKeyNMNRAWJWIGQQRN-CBLAIPOGSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds1

About [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol

[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol (PubChem CID 130624155) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol.

Molecular Properties

Compound Name[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
PubChem CID130624155
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
SMILESOCC1CC[C@@H]2C[C@@H]2CC1
InChIInChI=1S/C9H16O/c10-6-7-1-3-8-5-9(8)4-2-7/h7-10H,1-6H2/t7?,8-,9+
InChIKeyNMNRAWJWIGQQRN-CBLAIPOGSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
CID 89195947
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CID 134271074
[4-(4-iodocyclohexyl)cyclohexyl]methanol
CID 126583903
[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
CID 145126391
[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
CID 154096960
cyclopropylmethanol;formic acid
CID 174831416
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739

Frequently Asked Questions

What is the IUPAC name of [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol?
The IUPAC name of [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol (CID 130624155) is [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol.
What is the SMILES notation for [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol?
The canonical SMILES for [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol is OCC1CC[C@@H]2C[C@@H]2CC1.
What is the InChIKey of [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol?
The InChIKey is NMNRAWJWIGQQRN-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H16O/c10-6-7-1-3-8-5-9(8)4-2-7/h7-10H,1-6H2/t7?,8-,9+.
What are the key properties of [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol?
[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol is sourced from PubChem (CID 130624155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).